2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H35IN4O3 — CID 110050079

IUPAC2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(/NC1CCCC1)N1CCCC(C2(C)OCCO2)C1.I
InChIInChI=1S/C19H34N4O3.HI/c1-19(25-11-12-26-19)15-7-6-10-23(14-15)18(20-13-17(24)22(2)3)21-16-8-4-5-9-16;/h15-16H,4-14H2,1-3H3,(H,20,21);1H
InChIKeyUKYNANTWYWFOHW-UHFFFAOYSA-N
MW494.42 g/mol
LogP2.06
Rot. Bonds4

About 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110050079) has the molecular formula C19H35IN4O3 and a molecular weight of 494.42 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110050079
Molecular FormulaC19H35IN4O3
Molecular Weight494.42 g/mol
Exact Mass494.18
IUPAC Name2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)C(=O)C/N=C(/NC1CCCC1)N1CCCC(C2(C)OCCO2)C1.I
InChIInChI=1S/C19H34N4O3.HI/c1-19(25-11-12-26-19)15-7-6-10-23(14-15)18(20-13-17(24)22(2)3)21-16-8-4-5-9-16;/h15-16H,4-14H2,1-3H3,(H,20,21);1H
InChIKeyUKYNANTWYWFOHW-UHFFFAOYSA-N
XLogP2.06
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110050122
N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110050091
2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110061672
2-[[(cyclopentylamino)-(3-cyclopropylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 86791763
2-[[(cyclopentylamino)-[3-(cyclopentylsulfamoyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110050010
2-[[(cyclohexylamino)-[3-(diethylamino)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110039087
2-[[1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 86791749
2-[[(cyclopentylamino)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042033
2-[[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038538
2-[[1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119144573
2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110044203
(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99820518

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110050079) is 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CN(C)C(=O)C/N=C(/NC1CCCC1)N1CCCC(C2(C)OCCO2)C1.I.
What is the InChIKey of 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is UKYNANTWYWFOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3.HI/c1-19(25-11-12-26-19)15-7-6-10-23(14-15)18(20-13-17(24)22(2)3)21-16-8-4-5-9-16;/h15-16H,4-14H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 494.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110050079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).